BDBM349597 US10208000, Compound 39

SMILES: COc1cccc(c1)N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1

InChI Key: InChIKey=ZYUVUTFKMHIMBV-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 349597   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM349597 (US10208000, Compound 39) Show SMILES COc1cccc(c1)N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C16H15N3O5S/c1-19(10-4-3-5-11(8-10)24-2)25(22,23)12-6-7-13-14(9-12)18-16(21)15(20)17-13/h3-9H,1-2H3,(H,17,20)(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Research Foundation US Patent					Assay Description To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...				US Patent US10208000 (2019) BindingDB Entry DOI: 10.7270/Q28S4S2Z
					More data for this Ligand-Target Pair				3D Structure (crystal)